TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T88285 Lactoylglutathione lyase D09BHB Tolmetin Approved 5509 C15H15NO3 257.279 CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O Ki = 87800 nM Poor binder T88285 Lactoylglutathione lyase D0Z5IU Sulindac Approved 1548887 C20H17FO3S 356.4 CC\\1=C(C2=C(/C1=C\\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O Ki = 77900 nM Poor binder T88285 Lactoylglutathione lyase B1U4EC Ethyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Investigative 1550161 C13H13NO5 263.25 CCOC(=O)/C(=C\\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)C Ki = 65000 nM Poor binder T88285 Lactoylglutathione lyase B5YW7F 2-Amino-5-[[1-(carboxymethylamino)-5-(hydroxyamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Investigative 390760; 44375268 C12H20N4O8 348.31 C(CC(=O)NC(CCC(=O)NO)C(=O)NCC(=O)O)C(C(=O)O)N Ki = 92900 nM Poor binder T88285 Lactoylglutathione lyase BC86EV S-(N-Hydroxycarbamoyl)glutathione Investigative 10737607 C11H18N4O8S 366.35 C(CC(=O)N[C@@H](CSC(=O)NO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N Ki = 183000 nM Poor binder T88285 Lactoylglutathione lyase BO7A2R 2-(4-Methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Investigative 2306193 C17H17NO4S 331.4 COC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O IC50 = 54600 nM Poor binder T88285 Lactoylglutathione lyase BPQ4Y7 Ethyl (2Z)-2-[(4-nitrophenyl)methylidene]-3-oxobutanoate Investigative 5388618 C13H13NO5 263.25 CCOC(=O)/C(=C\\C1=CC=C(C=C1)[N+](=O)[O-])/C(=O)C Ki = 159000 nM Poor binder T88285 Lactoylglutathione lyase BQPL34 2-Amino-3-[[hydroxy(methyl)carbamoyl]sulfanylmethyl]butanedioic acid Investigative 44308565 C7H12N2O6S 252.25 CN(C(=O)SCC(C(C(=O)O)N)C(=O)O)O Ki = 68000 nM Poor binder T88285 Lactoylglutathione lyase BRU8C3 2-[(4-Methoxybenzoyl)amino]benzoic Acid Investigative 721421 C15H13NO4 271.27 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O IC50 = 93200 nM Poor binder T88285 Lactoylglutathione lyase BT3D5A 2,4-Pentanedione, 3-(m-nitrobenzylidene)- Investigative 95990 C12H11NO4 233.22 CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C Ki = 91000 nM Poor binder T88285 Lactoylglutathione lyase BT4G5C 2-Amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-5-[hydroxy(methyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Investigative 390759; 44375267 C15H26N4O8 390.39 CCOC(=O)CNC(=O)C(CCC(=O)N(C)O)NC(=O)CCC(C(=O)O)N IC50 = 140500 nM Poor binder T88285 Lactoylglutathione lyase BY9S1P Zomepirac Investigative 5733 C15H14ClNO3 291.73 CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl Ki = 107000 nM Poor binder